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2-(2-Methyl-3-phenethylcyclobut-1-en-1-yl)benzo[b]thiophene
SpectraBase Compound ID KRbxzWBp6dA
InChI InChI=1S/C21H20S/c1-15-17(12-11-16-7-3-2-4-8-16)13-19(15)21-14-18-9-5-6-10-20(18)22-21/h2-10,14,17H,11-13H2,1H3
InChIKey PUYGAIBCOGENOS-UHFFFAOYSA-N
Mol Weight 304.45 g/mol
Molecular Formula C21H20S
Exact Mass 304.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGBxUCXy97i
Name 2-(2-Methyl-3-phenethylcyclobut-1-en-1-yl)benzo[b]thiophene
Appearance Colorless oil
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Formula C21H20S
InChI InChI=1S/C21H20S/c1-15-17(12-11-16-7-3-2-4-8-16)13-19(15)21-14-18-9-5-6-10-20(18)22-21/h2-10,14,17H,11-13H2,1H3
InChIKey PUYGAIBCOGENOS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Quality 199
Reported Formula C21H20S
SMILES CC1=C(CC1CCC1=CC=CC=C1)C1=CC2=C(S1)C=CC=C2
SPLASH splash10-03xv-7952000000-fca2efec552909068075
Source of Spectrum QE-23-SM36-20i (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.28 (hexane, UV, KMnO4)
Wiley ID 1903887